N-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-5-chloranyl-6-ethyl-pyrimidin-4-amine

Systemtic Name: N-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-5-chloranyl-6-ethyl-pyrimidin-4-amine Openeye Name: 5-chloro-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-6-ethyl-pyrimidin-4-amine CAS Name: 5-chloro-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-6-ethyl-4-pyrimidinamine IUPAC Name: 5-chloro-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-6-ethylpyrimidin-4-amine Traditional Name: (5-chloro-6-ethyl-pyrimidin-4-yl)-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]amine Formula: C14H12ClF2N3O2 MolecularWeight: 327.713786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NCC2=CC3=C(C=C2)OC(O3)(F)F)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NCC2=CC3=C(C=C2)OC(O3)(F)F)Cl

InChI

InChI=1S/C14H12ClF2N3O2/c1-2-9-12(15)13(20-7-19-9)18-6-8-3-4-10-11(5-8)22-14(16,17)21-10/h3-5,7H,2,6H2,1H3,(H,18,19,20)